SCHEMBL5048926

SCHEMBL5048926

O=C1Cc2ccc(OCc3cccc(F)c3)cc2CCN1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 15/20 0.57
MAOA P21397 6/20 0.57
GRM5 P41594 2/20 0.49
CYP1A2 P05177 1/20 0.47
ACHE P22303 1/20 0.47
NR4A2 P43354 1/20 0.46
HPD P32754 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5042171 0.95 MAOB (0.57) MAOBMAOAGRM5CYP1A2ACHE
SCHEMBL5040852 0.87 MAOB (0.57) MAOBMAOA
SCHEMBL5044639 0.86 MAOB (0.61) MAOBMAOAGRM5ACHE
SCHEMBL20905162 0.84 MAOB (0.58) MAOBMAOAGRM5NR4A2
SCHEMBL5044659 0.83 GABRG2 (0.42) MAOBMAOA
SCHEMBL5045262 0.83 MAOB (0.57) MAOBMAOAGRM5NR4A2
SCHEMBL4425403 0.82 MAOB (0.67) MAOBMAOAGRM5CYP1A2ACHE
SCHEMBL30468506 0.82 MAOB (0.57) MAOBMAOA
SCHEMBL29051778 0.82 MAOB (0.57) MAOBMAOA
SCHEMBL566484 0.82 MAOB (0.56) MAOBMAOAGRM5NR4A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1680127-B1 BENZAZEPINE DERIVATIVES AS MAO-B INHIBITORS HOFFMANN LA ROCHE (CH) 2008-10-15 EP claimed
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-04-05 US claimed
WO-2006138475-A2 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2006-12-28 WO claimed
US-20050107360-A1 Bicyclic compounds HOFFMANN-LA ROCHE INC. 2005-05-19 US claimed
EP-1680127-B1 BENZAZEPINE DERIVATIVES AS MAO-B INHIBITORS HOFFMANN LA ROCHE (CH) 2008-10-15 EP disclosed
US-20070117791-A1 Bicyclic compounds JOLIDON SYNESE 2007-05-24 US disclosed
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-04-05 US disclosed
US-7173023-B2 Bicyclic compounds HOFFMANN-LA ROCHE INC. (US) 2007-02-06 US disclosed
WO-2006138475-A2 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2006-12-28 WO disclosed
EP-1680127-A1 BENZAZEPINE DERIVATIVES AS MAO-B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-19 EP disclosed
US-20050107360-A1 Bicyclic compounds HOFFMANN-LA ROCHE INC. 2005-05-19 US disclosed
WO-2005039591-A1 BENZAZEPINE DERIVATIVES AS MAO-B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-05-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 MAOB 1/4885MAOA 2/4885GRM5 744/4885
US-20050107360-A1 Bicyclic compounds MAOB, MAOA, XDH MAOB 1/4885MAOA 2/4885GRM5 797/4885
US-20070117791-A1 Bicyclic compounds MAOB, MAOA, XDH MAOB 1/4885MAOA 2/4885GRM5 732/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.